USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 166:sc= -0.027 (180deg=-0.328) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc=-0.00577 X(o=-0.0058,f=-0.057) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.04) USER MOD Single : A 9 MET CE :methyl -158:sc= -0.195 (180deg=-0.871) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0746 USER MOD Single : A 15 GLN : amide:sc= -0.0996 K(o=-0.1,f=-1.9) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot -101:sc= 1.2 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= -0.0198 (180deg=-0.204) USER MOD Single : A 32 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.068) USER MOD Single : A 37 TYR OH : rot -160:sc= -0.235 USER MOD Single : A 52 THR OG1 : rot 86:sc= 0.885 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.23) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -177:sc= -0.901 (180deg=-0.988) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.157 34.315 -31.229 1.00 31.30 N ATOM 2 CA MET A 1 29.526 32.976 -31.231 1.00 72.52 C ATOM 3 C MET A 1 30.485 31.929 -30.677 1.00 2.31 C ATOM 4 O MET A 1 31.531 31.657 -31.261 1.00 21.11 O ATOM 5 CB MET A 1 29.091 32.589 -32.650 1.00 15.01 C ATOM 6 CG MET A 1 28.565 31.164 -32.764 1.00 41.33 C ATOM 7 SD MET A 1 27.153 30.838 -31.687 1.00 13.42 S ATOM 8 CE MET A 1 25.937 31.956 -32.380 1.00 42.20 C ATOM 0 H1 MET A 1 29.488 35.014 -31.610 1.00 31.30 H new ATOM 0 H2 MET A 1 30.414 34.576 -30.256 1.00 31.30 H new ATOM 0 H3 MET A 1 31.013 34.296 -31.820 1.00 31.30 H new ATOM 0 HA MET A 1 28.644 33.016 -30.591 1.00 72.52 H new ATOM 0 HB2 MET A 1 28.317 33.280 -32.984 1.00 15.01 H new ATOM 0 HB3 MET A 1 29.938 32.709 -33.325 1.00 15.01 H new ATOM 0 HG2 MET A 1 28.277 30.972 -33.798 1.00 41.33 H new ATOM 0 HG3 MET A 1 29.367 30.467 -32.521 1.00 41.33 H new ATOM 0 HE1 MET A 1 24.949 31.702 -31.996 1.00 42.20 H new ATOM 0 HE2 MET A 1 26.183 32.980 -32.100 1.00 42.20 H new ATOM 0 HE3 MET A 1 25.938 31.867 -33.466 1.00 42.20 H new ATOM 20 N ALA A 2 30.126 31.353 -29.544 1.00 10.32 N ATOM 21 CA ALA A 2 30.940 30.323 -28.922 1.00 3.40 C ATOM 22 C ALA A 2 30.301 28.956 -29.100 1.00 70.52 C ATOM 23 O ALA A 2 29.143 28.752 -28.738 1.00 10.15 O ATOM 24 CB ALA A 2 31.136 30.624 -27.443 1.00 22.50 C ATOM 0 H ALA A 2 29.273 31.582 -29.034 1.00 10.32 H new ATOM 0 HA ALA A 2 31.915 30.315 -29.410 1.00 3.40 H new ATOM 0 HB1 ALA A 2 31.748 29.843 -26.991 1.00 22.50 H new ATOM 0 HB2 ALA A 2 31.635 31.587 -27.331 1.00 22.50 H new ATOM 0 HB3 ALA A 2 30.166 30.658 -26.947 1.00 22.50 H new ATOM 30 N HIS A 3 31.052 28.029 -29.677 1.00 53.21 N ATOM 31 CA HIS A 3 30.585 26.660 -29.837 1.00 4.03 C ATOM 32 C HIS A 3 30.720 25.912 -28.521 1.00 34.44 C ATOM 33 O HIS A 3 31.826 25.574 -28.099 1.00 33.52 O ATOM 34 CB HIS A 3 31.371 25.937 -30.938 1.00 44.24 C ATOM 35 CG HIS A 3 31.028 26.385 -32.328 1.00 2.52 C ATOM 36 ND1 HIS A 3 30.214 25.662 -33.170 1.00 60.13 N ATOM 37 CD2 HIS A 3 31.409 27.478 -33.028 1.00 22.45 C ATOM 38 CE1 HIS A 3 30.109 26.289 -34.325 1.00 13.11 C ATOM 39 NE2 HIS A 3 30.823 27.395 -34.267 1.00 63.14 N ATOM 0 H HIS A 3 31.989 28.201 -30.043 1.00 53.21 H new ATOM 0 HA HIS A 3 29.536 26.686 -30.131 1.00 4.03 H new ATOM 0 HB2 HIS A 3 32.437 26.092 -30.770 1.00 44.24 H new ATOM 0 HB3 HIS A 3 31.188 24.866 -30.857 1.00 44.24 H new ATOM 0 HD2 HIS A 3 32.055 28.270 -32.677 1.00 22.45 H new ATOM 0 HE1 HIS A 3 29.535 25.953 -35.175 1.00 13.11 H new ATOM 0 HE2 HIS A 3 30.924 28.077 -35.019 1.00 63.14 H new ATOM 48 N HIS A 4 29.590 25.690 -27.861 1.00 3.12 N ATOM 49 CA HIS A 4 29.560 24.985 -26.586 1.00 2.34 C ATOM 50 C HIS A 4 29.912 23.518 -26.796 1.00 22.31 C ATOM 51 O HIS A 4 29.087 22.731 -27.256 1.00 14.33 O ATOM 52 CB HIS A 4 28.175 25.131 -25.946 1.00 24.23 C ATOM 53 CG HIS A 4 28.095 24.657 -24.528 1.00 13.20 C ATOM 54 ND1 HIS A 4 28.757 25.273 -23.493 1.00 50.01 N ATOM 55 CD2 HIS A 4 27.403 23.635 -23.973 1.00 64.52 C ATOM 56 CE1 HIS A 4 28.477 24.653 -22.363 1.00 62.12 C ATOM 57 NE2 HIS A 4 27.652 23.654 -22.621 1.00 64.34 N ATOM 0 H HIS A 4 28.674 25.992 -28.192 1.00 3.12 H new ATOM 0 HA HIS A 4 30.298 25.420 -25.912 1.00 2.34 H new ATOM 0 HB2 HIS A 4 27.880 26.180 -25.983 1.00 24.23 H new ATOM 0 HB3 HIS A 4 27.452 24.575 -26.543 1.00 24.23 H new ATOM 0 HD2 HIS A 4 26.771 22.933 -24.496 1.00 64.52 H new ATOM 0 HE1 HIS A 4 28.859 24.918 -21.388 1.00 62.12 H new ATOM 0 HE2 HIS A 4 27.265 23.007 -21.934 1.00 64.34 H new ATOM 66 N HIS A 5 31.147 23.167 -26.467 1.00 11.22 N ATOM 67 CA HIS A 5 31.678 21.845 -26.757 1.00 51.02 C ATOM 68 C HIS A 5 32.444 21.289 -25.559 1.00 15.22 C ATOM 69 O HIS A 5 33.161 22.024 -24.875 1.00 31.41 O ATOM 70 CB HIS A 5 32.587 21.931 -27.995 1.00 14.33 C ATOM 71 CG HIS A 5 33.296 20.658 -28.353 1.00 25.22 C ATOM 72 ND1 HIS A 5 32.640 19.481 -28.629 1.00 62.55 N ATOM 73 CD2 HIS A 5 34.616 20.392 -28.493 1.00 13.52 C ATOM 74 CE1 HIS A 5 33.522 18.546 -28.924 1.00 1.11 C ATOM 75 NE2 HIS A 5 34.727 19.074 -28.852 1.00 70.04 N ATOM 0 H HIS A 5 31.805 23.787 -25.994 1.00 11.22 H new ATOM 0 HA HIS A 5 30.853 21.163 -26.961 1.00 51.02 H new ATOM 0 HB2 HIS A 5 31.985 22.246 -28.848 1.00 14.33 H new ATOM 0 HB3 HIS A 5 33.332 22.709 -27.826 1.00 14.33 H new ATOM 0 HD2 HIS A 5 35.429 21.088 -28.349 1.00 13.52 H new ATOM 0 HE1 HIS A 5 33.295 17.522 -29.181 1.00 1.11 H new ATOM 0 HE2 HIS A 5 35.601 18.581 -29.034 1.00 70.04 H new ATOM 84 N HIS A 6 32.277 19.994 -25.301 1.00 73.23 N ATOM 85 CA HIS A 6 33.025 19.314 -24.244 1.00 30.02 C ATOM 86 C HIS A 6 34.300 18.724 -24.820 1.00 42.35 C ATOM 87 O HIS A 6 34.312 18.269 -25.962 1.00 41.24 O ATOM 88 CB HIS A 6 32.193 18.195 -23.611 1.00 52.32 C ATOM 89 CG HIS A 6 31.010 18.673 -22.827 1.00 62.40 C ATOM 90 ND1 HIS A 6 30.992 18.715 -21.454 1.00 74.32 N ATOM 91 CD2 HIS A 6 29.792 19.108 -23.228 1.00 25.11 C ATOM 92 CE1 HIS A 6 29.818 19.151 -21.042 1.00 72.21 C ATOM 93 NE2 HIS A 6 29.066 19.398 -22.099 1.00 42.30 N ATOM 0 H HIS A 6 31.629 19.393 -25.810 1.00 73.23 H new ATOM 0 HA HIS A 6 33.266 20.046 -23.473 1.00 30.02 H new ATOM 0 HB2 HIS A 6 31.846 17.527 -24.399 1.00 52.32 H new ATOM 0 HB3 HIS A 6 32.835 17.608 -22.955 1.00 52.32 H new ATOM 0 HD2 HIS A 6 29.454 19.208 -24.249 1.00 25.11 H new ATOM 0 HE1 HIS A 6 29.521 19.284 -20.012 1.00 72.21 H new ATOM 0 HE2 HIS A 6 28.107 19.746 -22.080 1.00 42.30 H new ATOM 102 N HIS A 7 35.370 18.732 -24.045 1.00 22.21 N ATOM 103 CA HIS A 7 36.642 18.212 -24.521 1.00 3.01 C ATOM 104 C HIS A 7 37.000 16.922 -23.791 1.00 11.01 C ATOM 105 O HIS A 7 36.815 16.814 -22.580 1.00 50.15 O ATOM 106 CB HIS A 7 37.752 19.251 -24.342 1.00 43.11 C ATOM 107 CG HIS A 7 39.024 18.890 -25.050 1.00 3.12 C ATOM 108 ND1 HIS A 7 40.109 18.322 -24.419 1.00 22.13 N ATOM 109 CD2 HIS A 7 39.375 19.012 -26.353 1.00 55.14 C ATOM 110 CE1 HIS A 7 41.067 18.109 -25.298 1.00 52.14 C ATOM 111 NE2 HIS A 7 40.649 18.519 -26.480 1.00 13.41 N ATOM 0 H HIS A 7 35.386 19.090 -23.090 1.00 22.21 H new ATOM 0 HA HIS A 7 36.544 17.993 -25.584 1.00 3.01 H new ATOM 0 HB2 HIS A 7 37.401 20.215 -24.710 1.00 43.11 H new ATOM 0 HB3 HIS A 7 37.958 19.372 -23.279 1.00 43.11 H new ATOM 0 HD2 HIS A 7 38.765 19.421 -27.145 1.00 55.14 H new ATOM 0 HE1 HIS A 7 42.032 17.672 -25.086 1.00 52.14 H new ATOM 0 HE2 HIS A 7 41.185 18.476 -27.347 1.00 13.41 H new ATOM 120 N HIS A 8 37.501 15.944 -24.533 1.00 3.44 N ATOM 121 CA HIS A 8 37.912 14.678 -23.942 1.00 33.42 C ATOM 122 C HIS A 8 39.333 14.779 -23.399 1.00 54.50 C ATOM 123 O HIS A 8 40.238 15.244 -24.090 1.00 3.14 O ATOM 124 CB HIS A 8 37.792 13.516 -24.951 1.00 20.13 C ATOM 125 CG HIS A 8 38.541 13.702 -26.246 1.00 3.21 C ATOM 126 ND1 HIS A 8 37.922 14.055 -27.425 1.00 41.13 N ATOM 127 CD2 HIS A 8 39.854 13.549 -26.550 1.00 21.14 C ATOM 128 CE1 HIS A 8 38.814 14.111 -28.394 1.00 24.41 C ATOM 129 NE2 HIS A 8 39.995 13.810 -27.892 1.00 30.32 N ATOM 0 H HIS A 8 37.632 16.003 -25.543 1.00 3.44 H new ATOM 0 HA HIS A 8 37.238 14.463 -23.113 1.00 33.42 H new ATOM 0 HB2 HIS A 8 38.149 12.604 -24.473 1.00 20.13 H new ATOM 0 HB3 HIS A 8 36.737 13.364 -25.180 1.00 20.13 H new ATOM 0 HD2 HIS A 8 40.642 13.273 -25.865 1.00 21.14 H new ATOM 0 HE1 HIS A 8 38.611 14.361 -29.425 1.00 24.41 H new ATOM 0 HE2 HIS A 8 40.871 13.776 -28.414 1.00 30.32 H new ATOM 138 N MET A 9 39.515 14.348 -22.159 1.00 71.00 N ATOM 139 CA MET A 9 40.820 14.391 -21.516 1.00 3.32 C ATOM 140 C MET A 9 41.469 13.011 -21.535 1.00 71.25 C ATOM 141 O MET A 9 42.694 12.890 -21.522 1.00 3.00 O ATOM 142 CB MET A 9 40.705 14.907 -20.076 1.00 33.25 C ATOM 143 CG MET A 9 39.861 14.034 -19.157 1.00 73.22 C ATOM 144 SD MET A 9 39.752 14.696 -17.482 1.00 11.15 S ATOM 145 CE MET A 9 41.485 14.738 -17.025 1.00 20.10 C ATOM 0 H MET A 9 38.772 13.963 -21.576 1.00 71.00 H new ATOM 0 HA MET A 9 41.451 15.082 -22.076 1.00 3.32 H new ATOM 0 HB2 MET A 9 41.706 14.995 -19.654 1.00 33.25 H new ATOM 0 HB3 MET A 9 40.278 15.910 -20.096 1.00 33.25 H new ATOM 0 HG2 MET A 9 38.858 13.939 -19.572 1.00 73.22 H new ATOM 0 HG3 MET A 9 40.288 13.032 -19.121 1.00 73.22 H new ATOM 0 HE1 MET A 9 41.575 14.740 -15.939 1.00 20.10 H new ATOM 0 HE2 MET A 9 41.989 13.860 -17.429 1.00 20.10 H new ATOM 0 HE3 MET A 9 41.946 15.639 -17.429 1.00 20.10 H new ATOM 155 N GLY A 10 40.637 11.977 -21.568 1.00 22.52 N ATOM 156 CA GLY A 10 41.137 10.622 -21.660 1.00 14.40 C ATOM 157 C GLY A 10 41.552 10.056 -20.315 1.00 40.33 C ATOM 158 O GLY A 10 41.417 10.713 -19.279 1.00 35.12 O ATOM 0 H GLY A 10 39.621 12.056 -21.532 1.00 22.52 H new ATOM 0 HA2 GLY A 10 40.368 9.984 -22.096 1.00 14.40 H new ATOM 0 HA3 GLY A 10 41.991 10.600 -22.337 1.00 14.40 H new ATOM 162 N THR A 11 42.042 8.824 -20.334 1.00 52.10 N ATOM 163 CA THR A 11 42.529 8.158 -19.138 1.00 35.34 C ATOM 164 C THR A 11 43.557 7.098 -19.530 1.00 51.44 C ATOM 165 O THR A 11 43.212 6.075 -20.123 1.00 73.30 O ATOM 166 CB THR A 11 41.372 7.510 -18.345 1.00 31.41 C ATOM 167 OG1 THR A 11 40.424 8.517 -17.950 1.00 20.30 O ATOM 168 CG2 THR A 11 41.889 6.791 -17.109 1.00 11.31 C ATOM 0 H THR A 11 42.112 8.259 -21.181 1.00 52.10 H new ATOM 0 HA THR A 11 42.996 8.903 -18.494 1.00 35.34 H new ATOM 0 HB THR A 11 40.887 6.780 -18.993 1.00 31.41 H new ATOM 0 HG1 THR A 11 39.693 8.099 -17.449 1.00 20.30 H new ATOM 0 HG21 THR A 11 41.053 6.345 -16.571 1.00 11.31 H new ATOM 0 HG22 THR A 11 42.587 6.009 -17.408 1.00 11.31 H new ATOM 0 HG23 THR A 11 42.399 7.503 -16.460 1.00 11.31 H new ATOM 176 N LEU A 12 44.818 7.369 -19.226 1.00 52.30 N ATOM 177 CA LEU A 12 45.909 6.496 -19.626 1.00 23.41 C ATOM 178 C LEU A 12 46.082 5.330 -18.660 1.00 40.33 C ATOM 179 O LEU A 12 45.892 5.467 -17.451 1.00 4.22 O ATOM 180 CB LEU A 12 47.215 7.289 -19.720 1.00 5.45 C ATOM 181 CG LEU A 12 47.210 8.433 -20.735 1.00 25.55 C ATOM 182 CD1 LEU A 12 48.546 9.159 -20.722 1.00 14.02 C ATOM 183 CD2 LEU A 12 46.898 7.911 -22.132 1.00 1.13 C ATOM 0 H LEU A 12 45.111 8.192 -18.700 1.00 52.30 H new ATOM 0 HA LEU A 12 45.659 6.087 -20.605 1.00 23.41 H new ATOM 0 HB2 LEU A 12 47.445 7.698 -18.736 1.00 5.45 H new ATOM 0 HB3 LEU A 12 48.021 6.601 -19.975 1.00 5.45 H new ATOM 0 HG LEU A 12 46.430 9.140 -20.453 1.00 25.55 H new ATOM 0 HD11 LEU A 12 48.526 9.970 -21.450 1.00 14.02 H new ATOM 0 HD12 LEU A 12 48.728 9.567 -19.728 1.00 14.02 H new ATOM 0 HD13 LEU A 12 49.342 8.460 -20.979 1.00 14.02 H new ATOM 0 HD21 LEU A 12 46.899 8.741 -22.839 1.00 1.13 H new ATOM 0 HD22 LEU A 12 47.654 7.183 -22.426 1.00 1.13 H new ATOM 0 HD23 LEU A 12 45.917 7.436 -22.132 1.00 1.13 H new ATOM 195 N GLU A 13 46.436 4.182 -19.218 1.00 74.14 N ATOM 196 CA GLU A 13 46.704 2.983 -18.439 1.00 34.10 C ATOM 197 C GLU A 13 47.948 2.287 -18.985 1.00 14.22 C ATOM 198 O GLU A 13 48.144 1.088 -18.800 1.00 21.12 O ATOM 199 CB GLU A 13 45.499 2.041 -18.496 1.00 11.23 C ATOM 200 CG GLU A 13 45.094 1.663 -19.911 1.00 71.31 C ATOM 201 CD GLU A 13 44.026 0.593 -19.948 1.00 62.32 C ATOM 202 OE1 GLU A 13 44.362 -0.591 -19.739 1.00 5.31 O ATOM 203 OE2 GLU A 13 42.846 0.927 -20.185 1.00 45.51 O ATOM 0 H GLU A 13 46.546 4.056 -20.224 1.00 74.14 H new ATOM 0 HA GLU A 13 46.879 3.259 -17.399 1.00 34.10 H new ATOM 0 HB2 GLU A 13 45.730 1.134 -17.938 1.00 11.23 H new ATOM 0 HB3 GLU A 13 44.653 2.515 -17.998 1.00 11.23 H new ATOM 0 HG2 GLU A 13 44.731 2.550 -20.430 1.00 71.31 H new ATOM 0 HG3 GLU A 13 45.972 1.313 -20.454 1.00 71.31 H new ATOM 210 N ALA A 14 48.800 3.068 -19.639 1.00 24.43 N ATOM 211 CA ALA A 14 49.942 2.520 -20.362 1.00 51.55 C ATOM 212 C ALA A 14 51.177 2.396 -19.474 1.00 31.55 C ATOM 213 O ALA A 14 52.195 1.842 -19.894 1.00 43.41 O ATOM 214 CB ALA A 14 50.247 3.386 -21.578 1.00 50.05 C ATOM 0 H ALA A 14 48.722 4.084 -19.684 1.00 24.43 H new ATOM 0 HA ALA A 14 49.678 1.514 -20.688 1.00 51.55 H new ATOM 0 HB1 ALA A 14 51.101 2.972 -22.114 1.00 50.05 H new ATOM 0 HB2 ALA A 14 49.379 3.406 -22.237 1.00 50.05 H new ATOM 0 HB3 ALA A 14 50.479 4.400 -21.253 1.00 50.05 H new ATOM 220 N GLN A 15 51.090 2.917 -18.256 1.00 33.24 N ATOM 221 CA GLN A 15 52.208 2.865 -17.323 1.00 64.21 C ATOM 222 C GLN A 15 52.505 1.429 -16.908 1.00 43.12 C ATOM 223 O GLN A 15 53.609 0.932 -17.132 1.00 24.22 O ATOM 224 CB GLN A 15 51.926 3.730 -16.087 1.00 51.11 C ATOM 225 CG GLN A 15 52.274 5.205 -16.269 1.00 1.33 C ATOM 226 CD GLN A 15 51.473 5.898 -17.359 1.00 51.10 C ATOM 227 OE1 GLN A 15 50.312 5.567 -17.612 1.00 41.24 O ATOM 228 NE2 GLN A 15 52.098 6.860 -18.019 1.00 50.14 N ATOM 0 H GLN A 15 50.257 3.380 -17.892 1.00 33.24 H new ATOM 0 HA GLN A 15 53.086 3.263 -17.831 1.00 64.21 H new ATOM 0 HB2 GLN A 15 50.870 3.645 -15.830 1.00 51.11 H new ATOM 0 HB3 GLN A 15 52.492 3.335 -15.243 1.00 51.11 H new ATOM 0 HG2 GLN A 15 52.111 5.726 -15.325 1.00 1.33 H new ATOM 0 HG3 GLN A 15 53.335 5.292 -16.501 1.00 1.33 H new ATOM 0 HE21 GLN A 15 53.059 7.103 -17.778 1.00 50.14 H new ATOM 0 HE22 GLN A 15 51.619 7.359 -18.769 1.00 50.14 H new ATOM 237 N THR A 16 51.507 0.769 -16.325 1.00 41.03 N ATOM 238 CA THR A 16 51.655 -0.599 -15.841 1.00 65.25 C ATOM 239 C THR A 16 52.892 -0.710 -14.951 1.00 71.02 C ATOM 240 O THR A 16 53.824 -1.467 -15.236 1.00 60.01 O ATOM 241 CB THR A 16 51.752 -1.596 -17.014 1.00 60.03 C ATOM 242 OG1 THR A 16 50.801 -1.240 -18.030 1.00 34.23 O ATOM 243 CG2 THR A 16 51.479 -3.015 -16.539 1.00 13.02 C ATOM 0 H THR A 16 50.579 1.165 -16.176 1.00 41.03 H new ATOM 0 HA THR A 16 50.770 -0.850 -15.256 1.00 65.25 H new ATOM 0 HB THR A 16 52.762 -1.553 -17.422 1.00 60.03 H new ATOM 0 HG1 THR A 16 50.866 -1.874 -18.775 1.00 34.23 H new ATOM 0 HG21 THR A 16 51.553 -3.702 -17.382 1.00 13.02 H new ATOM 0 HG22 THR A 16 52.211 -3.292 -15.781 1.00 13.02 H new ATOM 0 HG23 THR A 16 50.477 -3.070 -16.113 1.00 13.02 H new ATOM 251 N GLN A 17 52.900 0.077 -13.887 1.00 22.33 N ATOM 252 CA GLN A 17 54.070 0.199 -13.032 1.00 61.30 C ATOM 253 C GLN A 17 54.166 -0.974 -12.063 1.00 25.31 C ATOM 254 O GLN A 17 53.186 -1.341 -11.415 1.00 50.42 O ATOM 255 CB GLN A 17 54.025 1.528 -12.272 1.00 15.34 C ATOM 256 CG GLN A 17 55.263 1.797 -11.431 1.00 22.51 C ATOM 257 CD GLN A 17 55.395 3.254 -11.043 1.00 60.11 C ATOM 258 OE1 GLN A 17 54.909 3.686 -9.997 1.00 34.14 O ATOM 259 NE2 GLN A 17 56.055 4.021 -11.889 1.00 40.42 N ATOM 0 H GLN A 17 52.104 0.644 -13.594 1.00 22.33 H new ATOM 0 HA GLN A 17 54.961 0.182 -13.660 1.00 61.30 H new ATOM 0 HB2 GLN A 17 53.900 2.341 -12.987 1.00 15.34 H new ATOM 0 HB3 GLN A 17 53.148 1.536 -11.624 1.00 15.34 H new ATOM 0 HG2 GLN A 17 55.225 1.186 -10.529 1.00 22.51 H new ATOM 0 HG3 GLN A 17 56.149 1.491 -11.987 1.00 22.51 H new ATOM 0 HE21 GLN A 17 56.442 3.622 -12.744 1.00 40.42 H new ATOM 0 HE22 GLN A 17 56.179 5.013 -11.688 1.00 40.42 H new ATOM 268 N GLY A 18 55.350 -1.567 -11.991 1.00 54.52 N ATOM 269 CA GLY A 18 55.577 -2.674 -11.083 1.00 41.03 C ATOM 270 C GLY A 18 55.798 -2.211 -9.655 1.00 22.24 C ATOM 271 O GLY A 18 55.787 -1.007 -9.383 1.00 20.24 O ATOM 0 H GLY A 18 56.161 -1.299 -12.548 1.00 54.52 H new ATOM 0 HA2 GLY A 18 54.722 -3.349 -11.116 1.00 41.03 H new ATOM 0 HA3 GLY A 18 56.445 -3.243 -11.417 1.00 41.03 H new ATOM 275 N PRO A 19 56.015 -3.146 -8.720 1.00 33.34 N ATOM 276 CA PRO A 19 56.182 -2.822 -7.300 1.00 31.13 C ATOM 277 C PRO A 19 57.436 -1.991 -7.032 1.00 41.42 C ATOM 278 O PRO A 19 57.363 -0.909 -6.447 1.00 3.40 O ATOM 279 CB PRO A 19 56.290 -4.196 -6.625 1.00 70.14 C ATOM 280 CG PRO A 19 56.727 -5.125 -7.706 1.00 72.05 C ATOM 281 CD PRO A 19 56.118 -4.595 -8.973 1.00 70.34 C ATOM 0 HA PRO A 19 55.358 -2.215 -6.925 1.00 31.13 H new ATOM 0 HB2 PRO A 19 57.009 -4.178 -5.806 1.00 70.14 H new ATOM 0 HB3 PRO A 19 55.334 -4.504 -6.203 1.00 70.14 H new ATOM 0 HG2 PRO A 19 57.814 -5.157 -7.778 1.00 72.05 H new ATOM 0 HG3 PRO A 19 56.391 -6.143 -7.507 1.00 72.05 H new ATOM 0 HD2 PRO A 19 56.743 -4.808 -9.840 1.00 70.34 H new ATOM 0 HD3 PRO A 19 55.142 -5.040 -9.167 1.00 70.34 H new ATOM 289 N GLY A 20 58.579 -2.489 -7.480 1.00 42.43 N ATOM 290 CA GLY A 20 59.834 -1.816 -7.218 1.00 42.52 C ATOM 291 C GLY A 20 60.651 -2.549 -6.175 1.00 34.14 C ATOM 292 O GLY A 20 60.093 -3.209 -5.298 1.00 3.12 O ATOM 0 H GLY A 20 58.660 -3.349 -8.022 1.00 42.43 H new ATOM 0 HA2 GLY A 20 60.407 -1.740 -8.142 1.00 42.52 H new ATOM 0 HA3 GLY A 20 59.638 -0.799 -6.879 1.00 42.52 H new ATOM 296 N SER A 21 61.968 -2.441 -6.262 1.00 51.21 N ATOM 297 CA SER A 21 62.843 -3.154 -5.349 1.00 11.04 C ATOM 298 C SER A 21 64.106 -2.353 -5.068 1.00 35.04 C ATOM 299 O SER A 21 64.689 -1.750 -5.973 1.00 4.22 O ATOM 300 CB SER A 21 63.203 -4.522 -5.936 1.00 32.11 C ATOM 301 OG SER A 21 64.078 -5.247 -5.082 1.00 22.41 O ATOM 0 H SER A 21 62.451 -1.868 -6.954 1.00 51.21 H new ATOM 0 HA SER A 21 62.316 -3.296 -4.405 1.00 11.04 H new ATOM 0 HB2 SER A 21 62.293 -5.099 -6.099 1.00 32.11 H new ATOM 0 HB3 SER A 21 63.674 -4.388 -6.910 1.00 32.11 H new ATOM 0 HG SER A 21 64.996 -5.175 -5.417 1.00 22.41 H new ATOM 307 N MET A 22 64.510 -2.331 -3.803 1.00 30.13 N ATOM 308 CA MET A 22 65.763 -1.703 -3.406 1.00 60.01 C ATOM 309 C MET A 22 66.923 -2.668 -3.617 1.00 54.52 C ATOM 310 O MET A 22 68.058 -2.257 -3.850 1.00 74.13 O ATOM 311 CB MET A 22 65.710 -1.249 -1.944 1.00 14.21 C ATOM 312 CG MET A 22 65.465 -2.376 -0.956 1.00 23.45 C ATOM 313 SD MET A 22 65.433 -1.804 0.752 1.00 44.33 S ATOM 314 CE MET A 22 65.057 -3.335 1.605 1.00 14.41 C ATOM 0 H MET A 22 63.985 -2.743 -3.032 1.00 30.13 H new ATOM 0 HA MET A 22 65.916 -0.822 -4.029 1.00 60.01 H new ATOM 0 HB2 MET A 22 66.650 -0.757 -1.693 1.00 14.21 H new ATOM 0 HB3 MET A 22 64.921 -0.505 -1.834 1.00 14.21 H new ATOM 0 HG2 MET A 22 64.517 -2.861 -1.191 1.00 23.45 H new ATOM 0 HG3 MET A 22 66.245 -3.129 -1.069 1.00 23.45 H new ATOM 0 HE1 MET A 22 65.002 -3.150 2.678 1.00 14.41 H new ATOM 0 HE2 MET A 22 64.100 -3.721 1.254 1.00 14.41 H new ATOM 0 HE3 MET A 22 65.840 -4.066 1.402 1.00 14.41 H new ATOM 324 N ASN A 23 66.625 -3.958 -3.541 1.00 63.33 N ATOM 325 CA ASN A 23 67.619 -4.993 -3.802 1.00 1.44 C ATOM 326 C ASN A 23 67.648 -5.296 -5.291 1.00 61.42 C ATOM 327 O ASN A 23 66.638 -5.123 -5.977 1.00 22.33 O ATOM 328 CB ASN A 23 67.303 -6.276 -3.024 1.00 31.12 C ATOM 329 CG ASN A 23 67.468 -6.134 -1.521 1.00 65.24 C ATOM 330 OD1 ASN A 23 67.320 -5.047 -0.962 1.00 53.02 O ATOM 331 ND2 ASN A 23 67.767 -7.240 -0.854 1.00 62.12 N ATOM 0 H ASN A 23 65.700 -4.315 -3.300 1.00 63.33 H new ATOM 0 HA ASN A 23 68.592 -4.627 -3.473 1.00 1.44 H new ATOM 0 HB2 ASN A 23 66.279 -6.579 -3.241 1.00 31.12 H new ATOM 0 HB3 ASN A 23 67.954 -7.075 -3.378 1.00 31.12 H new ATOM 0 HD21 ASN A 23 67.883 -7.209 0.159 1.00 62.12 H new ATOM 0 HD22 ASN A 23 67.881 -8.122 -1.354 1.00 62.12 H new ATOM 338 N ASP A 24 68.787 -5.736 -5.796 1.00 62.13 N ATOM 339 CA ASP A 24 68.903 -6.054 -7.210 1.00 23.32 C ATOM 340 C ASP A 24 68.272 -7.403 -7.522 1.00 42.10 C ATOM 341 O ASP A 24 68.953 -8.426 -7.620 1.00 73.01 O ATOM 342 CB ASP A 24 70.361 -6.031 -7.675 1.00 15.43 C ATOM 343 CG ASP A 24 70.893 -4.622 -7.843 1.00 21.21 C ATOM 344 OD1 ASP A 24 70.511 -3.954 -8.825 1.00 24.33 O ATOM 345 OD2 ASP A 24 71.687 -4.175 -6.986 1.00 44.21 O ATOM 0 H ASP A 24 69.639 -5.881 -5.254 1.00 62.13 H new ATOM 0 HA ASP A 24 68.362 -5.283 -7.758 1.00 23.32 H new ATOM 0 HB2 ASP A 24 70.978 -6.565 -6.953 1.00 15.43 H new ATOM 0 HB3 ASP A 24 70.446 -6.563 -8.622 1.00 15.43 H new ATOM 350 N TYR A 25 66.953 -7.398 -7.630 1.00 42.41 N ATOM 351 CA TYR A 25 66.210 -8.559 -8.087 1.00 12.14 C ATOM 352 C TYR A 25 65.850 -8.370 -9.552 1.00 32.30 C ATOM 353 O TYR A 25 65.986 -7.267 -10.087 1.00 32.03 O ATOM 354 CB TYR A 25 64.944 -8.769 -7.250 1.00 42.40 C ATOM 355 CG TYR A 25 65.203 -9.296 -5.854 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.620 -10.607 -5.654 1.00 12.22 C ATOM 357 CD2 TYR A 25 65.009 -8.494 -4.739 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.843 -11.100 -4.382 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.232 -8.976 -3.463 1.00 35.34 C ATOM 360 CZ TYR A 25 65.644 -10.281 -3.289 1.00 72.10 C ATOM 361 OH TYR A 25 65.862 -10.769 -2.019 1.00 54.31 O ATOM 0 H TYR A 25 66.370 -6.592 -7.404 1.00 42.41 H new ATOM 0 HA TYR A 25 66.832 -9.447 -7.971 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.410 -7.822 -7.175 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.288 -9.465 -7.773 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.772 -11.251 -6.507 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.678 -7.474 -4.870 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.171 -12.120 -4.244 1.00 74.12 H new ATOM 0 HE2 TYR A 25 65.085 -8.334 -2.607 1.00 35.34 H new ATOM 0 HH TYR A 25 65.678 -10.065 -1.362 1.00 54.31 H new ATOM 371 N LYS A 26 65.417 -9.432 -10.204 1.00 31.42 N ATOM 372 CA LYS A 26 65.078 -9.351 -11.614 1.00 10.43 C ATOM 373 C LYS A 26 63.600 -9.635 -11.847 1.00 64.22 C ATOM 374 O LYS A 26 62.940 -10.296 -11.029 1.00 33.23 O ATOM 375 CB LYS A 26 65.946 -10.325 -12.415 1.00 44.31 C ATOM 376 CG LYS A 26 67.427 -10.161 -12.130 1.00 40.14 C ATOM 377 CD LYS A 26 68.270 -11.139 -12.921 1.00 14.02 C ATOM 378 CE LYS A 26 69.732 -11.050 -12.519 1.00 14.41 C ATOM 379 NZ LYS A 26 70.281 -9.679 -12.699 1.00 2.34 N ATOM 0 H LYS A 26 65.292 -10.354 -9.786 1.00 31.42 H new ATOM 0 HA LYS A 26 65.275 -8.335 -11.955 1.00 10.43 H new ATOM 0 HB2 LYS A 26 65.647 -11.347 -12.183 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.766 -10.174 -13.479 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.732 -9.143 -12.371 1.00 40.14 H new ATOM 0 HG3 LYS A 26 67.609 -10.305 -11.065 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.906 -12.153 -12.757 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.169 -10.932 -13.986 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.839 -11.349 -11.476 1.00 14.41 H new ATOM 0 HE3 LYS A 26 70.314 -11.754 -13.114 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 71.314 -9.700 -12.577 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 70.052 -9.336 -13.654 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.861 -9.042 -11.992 1.00 2.34 H new ATOM 393 N LEU A 27 63.089 -9.105 -12.949 1.00 10.35 N ATOM 394 CA LEU A 27 61.718 -9.346 -13.361 1.00 63.42 C ATOM 395 C LEU A 27 61.699 -10.323 -14.532 1.00 12.52 C ATOM 396 O LEU A 27 62.076 -9.977 -15.648 1.00 23.11 O ATOM 397 CB LEU A 27 61.052 -8.026 -13.767 1.00 14.35 C ATOM 398 CG LEU A 27 59.602 -8.138 -14.249 1.00 74.43 C ATOM 399 CD1 LEU A 27 58.692 -8.587 -13.121 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.132 -6.809 -14.821 1.00 64.32 C ATOM 0 H LEU A 27 63.613 -8.498 -13.579 1.00 10.35 H new ATOM 0 HA LEU A 27 61.164 -9.776 -12.527 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.081 -7.347 -12.914 1.00 14.35 H new ATOM 0 HB3 LEU A 27 61.645 -7.569 -14.559 1.00 14.35 H new ATOM 0 HG LEU A 27 59.558 -8.890 -15.037 1.00 74.43 H new ATOM 0 HD11 LEU A 27 57.668 -8.659 -13.487 1.00 23.04 H new ATOM 0 HD12 LEU A 27 59.017 -9.562 -12.757 1.00 23.04 H new ATOM 0 HD13 LEU A 27 58.736 -7.863 -12.308 1.00 23.04 H new ATOM 0 HD21 LEU A 27 58.100 -6.903 -15.160 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.193 -6.040 -14.051 1.00 64.32 H new ATOM 0 HD23 LEU A 27 59.766 -6.531 -15.663 1.00 64.32 H new ATOM 412 N PHE A 28 61.289 -11.552 -14.279 1.00 1.00 N ATOM 413 CA PHE A 28 61.244 -12.560 -15.327 1.00 50.25 C ATOM 414 C PHE A 28 59.859 -12.620 -15.945 1.00 32.34 C ATOM 415 O PHE A 28 58.883 -12.971 -15.284 1.00 14.13 O ATOM 416 CB PHE A 28 61.670 -13.923 -14.786 1.00 13.43 C ATOM 417 CG PHE A 28 63.145 -14.003 -14.514 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.666 -13.588 -13.300 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.014 -14.476 -15.486 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.026 -13.647 -13.058 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.373 -14.536 -15.249 1.00 45.12 C ATOM 422 CZ PHE A 28 65.880 -14.120 -14.034 1.00 30.44 C ATOM 0 H PHE A 28 60.983 -11.877 -13.362 1.00 1.00 H new ATOM 0 HA PHE A 28 61.950 -12.280 -16.109 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.123 -14.131 -13.866 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.394 -14.696 -15.503 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.003 -13.214 -12.534 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.623 -14.801 -16.439 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.420 -13.323 -12.106 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.039 -14.908 -16.014 1.00 45.12 H new ATOM 0 HZ PHE A 28 66.943 -14.165 -13.848 1.00 30.44 H new ATOM 432 N ARG A 29 59.787 -12.268 -17.217 1.00 72.21 N ATOM 433 CA ARG A 29 58.520 -12.125 -17.906 1.00 15.21 C ATOM 434 C ARG A 29 58.325 -13.237 -18.932 1.00 74.30 C ATOM 435 O ARG A 29 59.170 -13.444 -19.794 1.00 12.12 O ATOM 436 CB ARG A 29 58.494 -10.760 -18.585 1.00 53.45 C ATOM 437 CG ARG A 29 57.191 -10.419 -19.275 1.00 41.44 C ATOM 438 CD ARG A 29 57.261 -9.028 -19.873 1.00 1.41 C ATOM 439 NE ARG A 29 55.974 -8.581 -20.390 1.00 42.11 N ATOM 440 CZ ARG A 29 55.699 -8.498 -21.688 1.00 34.34 C ATOM 441 NH1 ARG A 29 56.589 -8.916 -22.584 1.00 14.43 N ATOM 442 NH2 ARG A 29 54.532 -8.008 -22.094 1.00 21.35 N ATOM 0 H ARG A 29 60.603 -12.074 -17.798 1.00 72.21 H new ATOM 0 HA ARG A 29 57.704 -12.201 -17.187 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.705 -9.994 -17.838 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.299 -10.720 -19.319 1.00 53.45 H new ATOM 0 HG2 ARG A 29 56.984 -11.149 -20.058 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.368 -10.475 -18.562 1.00 41.44 H new ATOM 0 HD2 ARG A 29 57.609 -8.326 -19.115 1.00 1.41 H new ATOM 0 HD3 ARG A 29 57.996 -9.018 -20.678 1.00 1.41 H new ATOM 0 HE ARG A 29 55.248 -8.319 -19.723 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.482 -9.300 -22.275 1.00 14.43 H new ATOM 0 HH12 ARG A 29 56.378 -8.853 -23.580 1.00 14.43 H new ATOM 0 HH21 ARG A 29 53.844 -7.694 -21.409 1.00 21.35 H new ATOM 0 HH22 ARG A 29 54.324 -7.946 -23.091 1.00 21.35 H new ATOM 456 N CYS A 30 57.216 -13.954 -18.826 1.00 53.14 N ATOM 457 CA CYS A 30 56.904 -15.018 -19.773 1.00 13.35 C ATOM 458 C CYS A 30 56.559 -14.432 -21.135 1.00 23.11 C ATOM 459 O CYS A 30 55.657 -13.603 -21.246 1.00 13.32 O ATOM 460 CB CYS A 30 55.731 -15.858 -19.267 1.00 24.13 C ATOM 461 SG CYS A 30 55.345 -17.282 -20.312 1.00 1.33 S ATOM 0 H CYS A 30 56.517 -13.820 -18.095 1.00 53.14 H new ATOM 0 HA CYS A 30 57.783 -15.655 -19.870 1.00 13.35 H new ATOM 0 HB2 CYS A 30 55.956 -16.209 -18.260 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.848 -15.224 -19.193 1.00 24.13 H new ATOM 466 N ILE A 31 57.260 -14.876 -22.170 1.00 13.20 N ATOM 467 CA ILE A 31 57.045 -14.345 -23.512 1.00 62.43 C ATOM 468 C ILE A 31 55.898 -15.061 -24.214 1.00 64.12 C ATOM 469 O ILE A 31 55.492 -14.675 -25.307 1.00 21.10 O ATOM 470 CB ILE A 31 58.316 -14.443 -24.384 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.673 -15.904 -24.665 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.474 -13.729 -23.701 1.00 12.21 C ATOM 473 CD1 ILE A 31 59.889 -16.069 -25.548 1.00 74.30 C ATOM 0 H ILE A 31 57.978 -15.598 -22.108 1.00 13.20 H new ATOM 0 HA ILE A 31 56.790 -13.293 -23.388 1.00 62.43 H new ATOM 0 HB ILE A 31 58.119 -13.957 -25.339 1.00 61.10 H new ATOM 0 HG12 ILE A 31 58.849 -16.415 -23.719 1.00 2.21 H new ATOM 0 HG13 ILE A 31 57.821 -16.393 -25.138 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.366 -13.804 -24.324 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.219 -12.679 -23.556 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.667 -14.192 -22.733 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.083 -17.130 -25.705 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.709 -15.587 -26.509 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.753 -15.609 -25.068 1.00 74.30 H new ATOM 485 N GLN A 32 55.371 -16.098 -23.574 1.00 51.33 N ATOM 486 CA GLN A 32 54.249 -16.848 -24.131 1.00 23.44 C ATOM 487 C GLN A 32 52.934 -16.116 -23.876 1.00 13.04 C ATOM 488 O GLN A 32 51.933 -16.353 -24.549 1.00 35.13 O ATOM 489 CB GLN A 32 54.183 -18.251 -23.525 1.00 55.24 C ATOM 490 CG GLN A 32 55.368 -19.139 -23.874 1.00 33.15 C ATOM 491 CD GLN A 32 55.438 -19.473 -25.349 1.00 11.55 C ATOM 492 OE1 GLN A 32 54.851 -20.454 -25.804 1.00 42.33 O ATOM 493 NE2 GLN A 32 56.174 -18.675 -26.100 1.00 22.30 N ATOM 0 H GLN A 32 55.701 -16.439 -22.671 1.00 51.33 H new ATOM 0 HA GLN A 32 54.404 -16.935 -25.206 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.116 -18.163 -22.441 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.268 -18.737 -23.862 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.290 -18.640 -23.575 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.305 -20.063 -23.300 1.00 33.15 H new ATOM 0 HE21 GLN A 32 56.644 -17.872 -25.682 1.00 22.30 H new ATOM 0 HE22 GLN A 32 56.273 -18.861 -27.098 1.00 22.30 H new ATOM 502 N CYS A 33 52.949 -15.221 -22.899 1.00 2.20 N ATOM 503 CA CYS A 33 51.755 -14.476 -22.533 1.00 22.24 C ATOM 504 C CYS A 33 52.117 -13.087 -22.018 1.00 72.42 C ATOM 505 O CYS A 33 51.785 -12.078 -22.638 1.00 22.31 O ATOM 506 CB CYS A 33 50.954 -15.252 -21.482 1.00 41.11 C ATOM 507 SG CYS A 33 51.933 -15.833 -20.073 1.00 25.30 S ATOM 0 H CYS A 33 53.775 -14.994 -22.346 1.00 2.20 H new ATOM 0 HA CYS A 33 51.138 -14.352 -23.423 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.150 -14.615 -21.112 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.485 -16.111 -21.962 1.00 41.11 H new ATOM 512 N GLY A 34 52.821 -13.044 -20.899 1.00 75.22 N ATOM 513 CA GLY A 34 53.175 -11.781 -20.288 1.00 61.15 C ATOM 514 C GLY A 34 53.103 -11.852 -18.780 1.00 41.20 C ATOM 515 O GLY A 34 52.680 -10.902 -18.123 1.00 65.41 O ATOM 0 H GLY A 34 53.156 -13.868 -20.399 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.183 -11.499 -20.592 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.504 -11.001 -20.648 1.00 61.15 H new ATOM 519 N PHE A 35 53.500 -12.995 -18.237 1.00 44.34 N ATOM 520 CA PHE A 35 53.536 -13.192 -16.796 1.00 63.14 C ATOM 521 C PHE A 35 54.843 -12.646 -16.239 1.00 62.11 C ATOM 522 O PHE A 35 55.911 -13.205 -16.488 1.00 22.11 O ATOM 523 CB PHE A 35 53.385 -14.684 -16.473 1.00 51.10 C ATOM 524 CG PHE A 35 53.484 -15.024 -15.011 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.418 -14.798 -14.154 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.643 -15.587 -14.499 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.509 -15.127 -12.813 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.740 -15.915 -13.162 1.00 63.43 C ATOM 529 CZ PHE A 35 53.672 -15.686 -12.318 1.00 22.21 C ATOM 0 H PHE A 35 53.803 -13.805 -18.778 1.00 44.34 H new ATOM 0 HA PHE A 35 52.710 -12.654 -16.331 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.420 -15.027 -16.847 1.00 51.10 H new ATOM 0 HB3 PHE A 35 54.152 -15.238 -17.014 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.508 -14.361 -14.537 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.481 -15.771 -15.155 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.672 -14.947 -12.154 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.650 -16.350 -12.777 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.745 -15.943 -11.272 1.00 22.21 H new ATOM 539 N GLU A 36 54.754 -11.547 -15.510 1.00 21.30 N ATOM 540 CA GLU A 36 55.928 -10.875 -14.983 1.00 35.33 C ATOM 541 C GLU A 36 56.174 -11.261 -13.529 1.00 44.03 C ATOM 542 O GLU A 36 55.367 -10.971 -12.645 1.00 52.25 O ATOM 543 CB GLU A 36 55.767 -9.364 -15.152 1.00 30.54 C ATOM 544 CG GLU A 36 55.928 -8.937 -16.602 1.00 13.22 C ATOM 545 CD GLU A 36 55.545 -7.495 -16.871 1.00 51.45 C ATOM 546 OE1 GLU A 36 55.834 -6.624 -16.028 1.00 35.32 O ATOM 547 OE2 GLU A 36 54.980 -7.228 -17.958 1.00 54.43 O ATOM 0 H GLU A 36 53.871 -11.098 -15.268 1.00 21.30 H new ATOM 0 HA GLU A 36 56.807 -11.193 -15.544 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.784 -9.061 -14.791 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.505 -8.849 -14.537 1.00 30.54 H new ATOM 0 HG2 GLU A 36 56.966 -9.087 -16.900 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.318 -9.586 -17.230 1.00 13.22 H new ATOM 554 N TYR A 37 57.290 -11.942 -13.306 1.00 71.04 N ATOM 555 CA TYR A 37 57.647 -12.460 -11.994 1.00 2.31 C ATOM 556 C TYR A 37 58.805 -11.671 -11.384 1.00 2.10 C ATOM 557 O TYR A 37 59.930 -11.717 -11.884 1.00 33.24 O ATOM 558 CB TYR A 37 58.021 -13.945 -12.124 1.00 64.22 C ATOM 559 CG TYR A 37 58.729 -14.531 -10.920 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.017 -14.989 -9.822 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.114 -14.629 -10.891 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.666 -15.525 -8.728 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.769 -15.165 -9.801 1.00 42.11 C ATOM 564 CZ TYR A 37 60.040 -15.611 -8.720 1.00 3.33 C ATOM 565 OH TYR A 37 60.683 -16.147 -7.628 1.00 35.44 O ATOM 0 H TYR A 37 57.975 -12.151 -14.033 1.00 71.04 H new ATOM 0 HA TYR A 37 56.790 -12.353 -11.328 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.113 -14.519 -12.308 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.659 -14.069 -12.999 1.00 64.22 H new ATOM 0 HD1 TYR A 37 56.939 -14.925 -9.823 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.688 -14.280 -11.736 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.097 -15.876 -7.880 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.847 -15.235 -9.795 1.00 42.11 H new ATOM 0 HH TYR A 37 61.617 -15.852 -7.621 1.00 35.44 H new ATOM 575 N ASP A 38 58.517 -10.931 -10.320 1.00 70.50 N ATOM 576 CA ASP A 38 59.555 -10.258 -9.545 1.00 10.30 C ATOM 577 C ASP A 38 60.189 -11.240 -8.579 1.00 4.53 C ATOM 578 O ASP A 38 59.483 -11.879 -7.798 1.00 73.13 O ATOM 579 CB ASP A 38 58.979 -9.091 -8.728 1.00 64.12 C ATOM 580 CG ASP A 38 58.605 -7.886 -9.560 1.00 45.13 C ATOM 581 OD1 ASP A 38 57.476 -7.854 -10.084 1.00 30.54 O ATOM 582 OD2 ASP A 38 59.432 -6.959 -9.661 1.00 51.42 O ATOM 0 H ASP A 38 57.570 -10.781 -9.972 1.00 70.50 H new ATOM 0 HA ASP A 38 60.292 -9.873 -10.249 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.096 -9.437 -8.191 1.00 64.12 H new ATOM 0 HB3 ASP A 38 59.710 -8.790 -7.978 1.00 64.12 H new ATOM 587 N GLU A 39 61.509 -11.365 -8.617 1.00 21.24 N ATOM 588 CA GLU A 39 62.211 -12.173 -7.619 1.00 73.35 C ATOM 589 C GLU A 39 61.988 -11.602 -6.214 1.00 61.05 C ATOM 590 O GLU A 39 62.042 -12.322 -5.214 1.00 14.23 O ATOM 591 CB GLU A 39 63.709 -12.235 -7.919 1.00 3.15 C ATOM 592 CG GLU A 39 64.071 -13.058 -9.146 1.00 2.32 C ATOM 593 CD GLU A 39 65.572 -13.176 -9.330 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.228 -12.131 -9.533 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.103 -14.305 -9.258 1.00 61.24 O ATOM 0 H GLU A 39 62.110 -10.927 -9.314 1.00 21.24 H new ATOM 0 HA GLU A 39 61.806 -13.184 -7.663 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.082 -11.220 -8.054 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.224 -12.651 -7.053 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.638 -14.054 -9.055 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.632 -12.599 -10.032 1.00 2.32 H new ATOM 602 N ALA A 40 61.715 -10.301 -6.158 1.00 41.21 N ATOM 603 CA ALA A 40 61.491 -9.607 -4.897 1.00 41.44 C ATOM 604 C ALA A 40 60.153 -9.994 -4.272 1.00 73.14 C ATOM 605 O ALA A 40 60.013 -10.006 -3.050 1.00 63.31 O ATOM 606 CB ALA A 40 61.553 -8.103 -5.114 1.00 64.54 C ATOM 0 H ALA A 40 61.644 -9.703 -6.981 1.00 41.21 H new ATOM 0 HA ALA A 40 62.278 -9.906 -4.205 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.384 -7.591 -4.166 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.534 -7.832 -5.503 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.785 -7.806 -5.828 1.00 64.54 H new ATOM 612 N LEU A 41 59.175 -10.312 -5.111 1.00 35.01 N ATOM 613 CA LEU A 41 57.847 -10.672 -4.628 1.00 43.03 C ATOM 614 C LEU A 41 57.685 -12.180 -4.555 1.00 41.24 C ATOM 615 O LEU A 41 57.025 -12.702 -3.654 1.00 5.12 O ATOM 616 CB LEU A 41 56.765 -10.093 -5.541 1.00 54.42 C ATOM 617 CG LEU A 41 56.676 -8.568 -5.574 1.00 52.33 C ATOM 618 CD1 LEU A 41 55.540 -8.130 -6.485 1.00 54.05 C ATOM 619 CD2 LEU A 41 56.481 -8.009 -4.172 1.00 50.10 C ATOM 0 H LEU A 41 59.275 -10.328 -6.126 1.00 35.01 H new ATOM 0 HA LEU A 41 57.737 -10.254 -3.627 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.941 -10.451 -6.555 1.00 54.42 H new ATOM 0 HB3 LEU A 41 55.799 -10.489 -5.226 1.00 54.42 H new ATOM 0 HG LEU A 41 57.613 -8.175 -5.968 1.00 52.33 H new ATOM 0 HD11 LEU A 41 55.486 -7.041 -6.501 1.00 54.05 H new ATOM 0 HD12 LEU A 41 55.720 -8.499 -7.495 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.599 -8.535 -6.113 1.00 54.05 H new ATOM 0 HD21 LEU A 41 56.420 -6.922 -4.219 1.00 50.10 H new ATOM 0 HD22 LEU A 41 55.559 -8.406 -3.747 1.00 50.10 H new ATOM 0 HD23 LEU A 41 57.324 -8.298 -3.544 1.00 50.10 H new ATOM 631 N GLY A 42 58.288 -12.873 -5.504 1.00 60.35 N ATOM 632 CA GLY A 42 58.141 -14.309 -5.571 1.00 65.42 C ATOM 633 C GLY A 42 56.786 -14.698 -6.123 1.00 1.31 C ATOM 634 O GLY A 42 56.044 -13.849 -6.623 1.00 22.32 O ATOM 0 H GLY A 42 58.878 -12.467 -6.230 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.926 -14.728 -6.200 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.267 -14.736 -4.576 1.00 65.42 H new ATOM 638 N TRP A 43 56.463 -15.973 -6.044 1.00 34.01 N ATOM 639 CA TRP A 43 55.158 -16.453 -6.458 1.00 72.13 C ATOM 640 C TRP A 43 54.669 -17.490 -5.456 1.00 1.53 C ATOM 641 O TRP A 43 54.763 -18.699 -5.687 1.00 0.54 O ATOM 642 CB TRP A 43 55.209 -17.032 -7.875 1.00 22.21 C ATOM 643 CG TRP A 43 53.854 -17.316 -8.453 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.341 -18.536 -8.774 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.840 -16.357 -8.778 1.00 75.12 C ATOM 646 NE1 TRP A 43 52.071 -18.399 -9.279 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.739 -17.070 -9.293 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.755 -14.965 -8.686 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.569 -16.438 -9.710 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.595 -14.340 -9.101 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.515 -15.076 -9.608 1.00 72.01 C ATOM 0 H TRP A 43 57.089 -16.699 -5.695 1.00 34.01 H new ATOM 0 HA TRP A 43 54.457 -15.618 -6.479 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.734 -16.333 -8.526 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.790 -17.954 -7.862 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.858 -19.476 -8.649 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.472 -19.163 -9.593 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.581 -14.388 -8.297 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.735 -17.004 -10.099 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.519 -13.265 -9.034 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.623 -14.557 -9.924 1.00 72.01 H new ATOM 662 N PRO A 44 54.159 -17.019 -4.306 1.00 45.41 N ATOM 663 CA PRO A 44 53.790 -17.886 -3.184 1.00 41.22 C ATOM 664 C PRO A 44 52.586 -18.768 -3.490 1.00 43.31 C ATOM 665 O PRO A 44 52.195 -19.601 -2.678 1.00 52.04 O ATOM 666 CB PRO A 44 53.474 -16.904 -2.055 1.00 1.41 C ATOM 667 CG PRO A 44 53.127 -15.623 -2.734 1.00 43.31 C ATOM 668 CD PRO A 44 53.915 -15.595 -4.011 1.00 12.02 C ATOM 0 HA PRO A 44 54.588 -18.587 -2.939 1.00 41.22 H new ATOM 0 HB2 PRO A 44 52.646 -17.262 -1.443 1.00 1.41 H new ATOM 0 HB3 PRO A 44 54.330 -16.778 -1.392 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.057 -15.568 -2.936 1.00 43.31 H new ATOM 0 HG3 PRO A 44 53.377 -14.769 -2.104 1.00 43.31 H new ATOM 0 HD2 PRO A 44 53.359 -15.110 -4.813 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.849 -15.045 -3.893 1.00 12.02 H new ATOM 676 N GLU A 45 52.004 -18.580 -4.666 1.00 52.10 N ATOM 677 CA GLU A 45 50.907 -19.420 -5.113 1.00 33.11 C ATOM 678 C GLU A 45 51.443 -20.785 -5.544 1.00 32.45 C ATOM 679 O GLU A 45 50.736 -21.788 -5.506 1.00 53.21 O ATOM 680 CB GLU A 45 50.158 -18.747 -6.265 1.00 63.41 C ATOM 681 CG GLU A 45 48.773 -19.321 -6.507 1.00 44.43 C ATOM 682 CD GLU A 45 47.880 -19.188 -5.290 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.250 -18.125 -5.123 1.00 61.31 O ATOM 684 OE2 GLU A 45 47.821 -20.139 -4.481 1.00 63.33 O ATOM 0 H GLU A 45 52.275 -17.852 -5.327 1.00 52.10 H new ATOM 0 HA GLU A 45 50.208 -19.562 -4.289 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.069 -17.681 -6.056 1.00 63.41 H new ATOM 0 HB3 GLU A 45 50.747 -18.845 -7.177 1.00 63.41 H new ATOM 0 HG2 GLU A 45 48.312 -18.810 -7.352 1.00 44.43 H new ATOM 0 HG3 GLU A 45 48.860 -20.373 -6.779 1.00 44.43 H new ATOM 691 N ASP A 46 52.709 -20.810 -5.948 1.00 54.25 N ATOM 692 CA ASP A 46 53.373 -22.061 -6.314 1.00 30.40 C ATOM 693 C ASP A 46 54.145 -22.585 -5.109 1.00 61.32 C ATOM 694 O ASP A 46 54.414 -23.779 -4.985 1.00 73.23 O ATOM 695 CB ASP A 46 54.335 -21.823 -7.488 1.00 23.20 C ATOM 696 CG ASP A 46 54.837 -23.102 -8.138 1.00 70.52 C ATOM 697 OD1 ASP A 46 55.581 -23.869 -7.490 1.00 44.22 O ATOM 698 OD2 ASP A 46 54.510 -23.330 -9.325 1.00 44.11 O ATOM 0 H ASP A 46 53.297 -19.981 -6.031 1.00 54.25 H new ATOM 0 HA ASP A 46 52.626 -22.794 -6.619 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.831 -21.217 -8.241 1.00 23.20 H new ATOM 0 HB3 ASP A 46 55.190 -21.246 -7.134 1.00 23.20 H new ATOM 703 N GLY A 47 54.460 -21.670 -4.199 1.00 73.12 N ATOM 704 CA GLY A 47 55.273 -22.001 -3.044 1.00 12.11 C ATOM 705 C GLY A 47 56.542 -21.179 -3.017 1.00 64.11 C ATOM 706 O GLY A 47 57.173 -21.022 -1.975 1.00 22.42 O ATOM 0 H GLY A 47 54.163 -20.695 -4.242 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.703 -21.825 -2.132 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.524 -23.062 -3.064 1.00 12.11 H new ATOM 710 N ILE A 48 56.900 -20.643 -4.181 1.00 0.01 N ATOM 711 CA ILE A 48 58.098 -19.823 -4.328 1.00 25.24 C ATOM 712 C ILE A 48 57.947 -18.512 -3.557 1.00 62.01 C ATOM 713 O ILE A 48 57.206 -17.625 -3.968 1.00 62.43 O ATOM 714 CB ILE A 48 58.371 -19.518 -5.817 1.00 14.52 C ATOM 715 CG1 ILE A 48 58.488 -20.823 -6.608 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.631 -18.683 -5.976 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.677 -20.614 -8.093 1.00 43.03 C ATOM 0 H ILE A 48 56.371 -20.764 -5.044 1.00 0.01 H new ATOM 0 HA ILE A 48 58.940 -20.382 -3.921 1.00 25.24 H new ATOM 0 HB ILE A 48 57.533 -18.942 -6.211 1.00 14.52 H new ATOM 0 HG12 ILE A 48 59.328 -21.399 -6.221 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.590 -21.419 -6.445 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.803 -18.481 -7.033 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.513 -17.741 -5.441 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.482 -19.228 -5.568 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.752 -21.581 -8.590 1.00 43.03 H new ATOM 0 HD12 ILE A 48 57.825 -20.065 -8.494 1.00 43.03 H new ATOM 0 HD13 ILE A 48 59.590 -20.045 -8.267 1.00 43.03 H new ATOM 729 N ALA A 49 58.644 -18.398 -2.441 1.00 31.20 N ATOM 730 CA ALA A 49 58.492 -17.244 -1.568 1.00 5.11 C ATOM 731 C ALA A 49 59.337 -16.063 -2.037 1.00 32.55 C ATOM 732 O ALA A 49 60.291 -16.221 -2.808 1.00 44.13 O ATOM 733 CB ALA A 49 58.849 -17.615 -0.139 1.00 50.42 C ATOM 0 H ALA A 49 59.321 -19.089 -2.116 1.00 31.20 H new ATOM 0 HA ALA A 49 57.447 -16.936 -1.607 1.00 5.11 H new ATOM 0 HB1 ALA A 49 58.731 -16.743 0.504 1.00 50.42 H new ATOM 0 HB2 ALA A 49 58.190 -18.412 0.206 1.00 50.42 H new ATOM 0 HB3 ALA A 49 59.883 -17.958 -0.100 1.00 50.42 H new ATOM 739 N ALA A 50 58.983 -14.882 -1.553 1.00 43.33 N ATOM 740 CA ALA A 50 59.689 -13.661 -1.906 1.00 31.42 C ATOM 741 C ALA A 50 61.169 -13.788 -1.587 1.00 65.35 C ATOM 742 O ALA A 50 61.544 -14.206 -0.490 1.00 33.24 O ATOM 743 CB ALA A 50 59.084 -12.480 -1.165 1.00 12.13 C ATOM 0 H ALA A 50 58.204 -14.744 -0.909 1.00 43.33 H new ATOM 0 HA ALA A 50 59.586 -13.494 -2.978 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.618 -11.569 -1.435 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.034 -12.379 -1.438 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.166 -12.644 -0.091 1.00 12.13 H new ATOM 749 N GLY A 51 62.011 -13.463 -2.555 1.00 23.11 N ATOM 750 CA GLY A 51 63.434 -13.557 -2.341 1.00 51.21 C ATOM 751 C GLY A 51 64.024 -14.826 -2.922 1.00 12.22 C ATOM 752 O GLY A 51 65.247 -14.956 -3.017 1.00 44.15 O ATOM 0 H GLY A 51 61.733 -13.137 -3.481 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.924 -12.693 -2.790 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.641 -13.520 -1.271 1.00 51.21 H new ATOM 756 N THR A 52 63.169 -15.774 -3.299 1.00 34.23 N ATOM 757 CA THR A 52 63.642 -16.981 -3.955 1.00 72.11 C ATOM 758 C THR A 52 64.117 -16.652 -5.369 1.00 32.45 C ATOM 759 O THR A 52 63.329 -16.248 -6.226 1.00 11.25 O ATOM 760 CB THR A 52 62.551 -18.069 -4.000 1.00 4.53 C ATOM 761 OG1 THR A 52 62.088 -18.341 -2.666 1.00 61.21 O ATOM 762 CG2 THR A 52 63.084 -19.353 -4.624 1.00 63.31 C ATOM 0 H THR A 52 62.159 -15.728 -3.162 1.00 34.23 H new ATOM 0 HA THR A 52 64.476 -17.374 -3.374 1.00 72.11 H new ATOM 0 HB THR A 52 61.727 -17.704 -4.613 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.381 -17.705 -2.429 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.294 -20.104 -4.643 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.418 -19.152 -5.642 1.00 63.31 H new ATOM 0 HG23 THR A 52 63.922 -19.724 -4.034 1.00 63.31 H new ATOM 770 N ARG A 53 65.418 -16.796 -5.585 1.00 11.11 N ATOM 771 CA ARG A 53 66.036 -16.461 -6.862 1.00 1.42 C ATOM 772 C ARG A 53 65.640 -17.440 -7.959 1.00 24.11 C ATOM 773 O ARG A 53 65.319 -18.600 -7.691 1.00 33.21 O ATOM 774 CB ARG A 53 67.561 -16.444 -6.726 1.00 42.33 C ATOM 775 CG ARG A 53 68.102 -15.243 -5.968 1.00 70.11 C ATOM 776 CD ARG A 53 67.877 -13.949 -6.732 1.00 62.02 C ATOM 777 NE ARG A 53 68.586 -12.827 -6.121 1.00 73.44 N ATOM 778 CZ ARG A 53 68.748 -11.639 -6.699 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.189 -11.378 -7.874 1.00 5.03 N ATOM 780 NH2 ARG A 53 69.462 -10.697 -6.094 1.00 20.33 N ATOM 0 H ARG A 53 66.072 -17.146 -4.885 1.00 11.11 H new ATOM 0 HA ARG A 53 65.677 -15.471 -7.143 1.00 1.42 H new ATOM 0 HB2 ARG A 53 67.880 -17.354 -6.219 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.004 -16.462 -7.722 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.618 -15.179 -4.994 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.168 -15.378 -5.786 1.00 70.11 H new ATOM 0 HD2 ARG A 53 68.211 -14.072 -7.762 1.00 62.02 H new ATOM 0 HD3 ARG A 53 66.810 -13.729 -6.767 1.00 62.02 H new ATOM 0 HE ARG A 53 68.983 -12.963 -5.191 1.00 73.44 H new ATOM 0 HH11 ARG A 53 67.629 -12.091 -8.342 1.00 5.03 H new ATOM 0 HH12 ARG A 53 68.319 -10.465 -8.309 1.00 5.03 H new ATOM 0 HH21 ARG A 53 69.887 -10.884 -5.186 1.00 20.33 H new ATOM 0 HH22 ARG A 53 69.586 -9.787 -6.538 1.00 20.33 H new ATOM 794 N TRP A 54 65.697 -16.958 -9.193 1.00 75.02 N ATOM 795 CA TRP A 54 65.443 -17.770 -10.378 1.00 4.51 C ATOM 796 C TRP A 54 66.422 -18.947 -10.427 1.00 51.50 C ATOM 797 O TRP A 54 66.135 -19.998 -11.004 1.00 53.22 O ATOM 798 CB TRP A 54 65.609 -16.887 -11.615 1.00 14.02 C ATOM 799 CG TRP A 54 64.992 -17.435 -12.863 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.644 -17.973 -13.931 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.597 -17.474 -13.177 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.739 -18.335 -14.898 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.474 -18.044 -14.454 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.441 -17.082 -12.498 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.241 -18.228 -15.070 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.218 -17.266 -13.110 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.127 -17.836 -14.384 1.00 44.10 C ATOM 0 H TRP A 54 65.922 -15.986 -9.403 1.00 75.02 H new ATOM 0 HA TRP A 54 64.430 -18.172 -10.346 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.171 -15.910 -11.409 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.673 -16.729 -11.791 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.714 -18.097 -14.006 1.00 3.31 H new ATOM 0 HE1 TRP A 54 64.970 -18.752 -15.800 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.503 -16.643 -11.513 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.167 -18.665 -16.055 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.317 -16.965 -12.597 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.155 -17.969 -14.835 1.00 44.10 H new ATOM 818 N ASP A 55 67.574 -18.742 -9.796 1.00 34.41 N ATOM 819 CA ASP A 55 68.615 -19.760 -9.675 1.00 13.53 C ATOM 820 C ASP A 55 68.156 -20.926 -8.799 1.00 43.20 C ATOM 821 O ASP A 55 68.559 -22.072 -9.005 1.00 13.14 O ATOM 822 CB ASP A 55 69.874 -19.119 -9.077 1.00 34.21 C ATOM 823 CG ASP A 55 70.888 -20.131 -8.580 1.00 1.12 C ATOM 824 OD1 ASP A 55 71.722 -20.592 -9.387 1.00 31.21 O ATOM 825 OD2 ASP A 55 70.863 -20.456 -7.374 1.00 31.22 O ATOM 0 H ASP A 55 67.814 -17.857 -9.350 1.00 34.41 H new ATOM 0 HA ASP A 55 68.831 -20.157 -10.667 1.00 13.53 H new ATOM 0 HB2 ASP A 55 70.343 -18.486 -9.830 1.00 34.21 H new ATOM 0 HB3 ASP A 55 69.585 -18.470 -8.250 1.00 34.21 H new ATOM 830 N ASP A 56 67.307 -20.624 -7.825 1.00 74.00 N ATOM 831 CA ASP A 56 66.860 -21.626 -6.865 1.00 13.50 C ATOM 832 C ASP A 56 65.594 -22.312 -7.360 1.00 35.01 C ATOM 833 O ASP A 56 65.255 -23.412 -6.927 1.00 73.34 O ATOM 834 CB ASP A 56 66.620 -20.974 -5.499 1.00 10.43 C ATOM 835 CG ASP A 56 66.436 -21.993 -4.394 1.00 24.32 C ATOM 836 OD1 ASP A 56 67.318 -22.868 -4.238 1.00 73.21 O ATOM 837 OD2 ASP A 56 65.422 -21.921 -3.672 1.00 45.42 O ATOM 0 H ASP A 56 66.914 -19.694 -7.679 1.00 74.00 H new ATOM 0 HA ASP A 56 67.638 -22.382 -6.760 1.00 13.50 H new ATOM 0 HB2 ASP A 56 67.463 -20.327 -5.256 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.736 -20.339 -5.554 1.00 10.43 H new ATOM 842 N ILE A 57 64.909 -21.657 -8.284 1.00 54.25 N ATOM 843 CA ILE A 57 63.696 -22.202 -8.874 1.00 24.31 C ATOM 844 C ILE A 57 64.027 -23.383 -9.789 1.00 43.24 C ATOM 845 O ILE A 57 64.867 -23.265 -10.683 1.00 14.33 O ATOM 846 CB ILE A 57 62.940 -21.119 -9.675 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.554 -19.957 -8.757 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.704 -21.705 -10.338 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.864 -18.816 -9.474 1.00 14.05 C ATOM 0 H ILE A 57 65.175 -20.740 -8.644 1.00 54.25 H new ATOM 0 HA ILE A 57 63.056 -22.549 -8.063 1.00 24.31 H new ATOM 0 HB ILE A 57 63.600 -20.744 -10.457 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.898 -20.330 -7.971 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.452 -19.578 -8.269 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.187 -20.925 -10.897 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.000 -22.503 -11.018 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.038 -22.107 -9.575 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.621 -18.030 -8.758 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.526 -18.416 -10.242 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.947 -19.179 -9.939 1.00 14.05 H new ATOM 861 N PRO A 58 63.366 -24.537 -9.566 1.00 63.44 N ATOM 862 CA PRO A 58 63.588 -25.771 -10.334 1.00 3.44 C ATOM 863 C PRO A 58 63.590 -25.541 -11.844 1.00 51.00 C ATOM 864 O PRO A 58 62.790 -24.766 -12.373 1.00 45.01 O ATOM 865 CB PRO A 58 62.409 -26.674 -9.933 1.00 24.00 C ATOM 866 CG PRO A 58 61.485 -25.811 -9.137 1.00 73.11 C ATOM 867 CD PRO A 58 62.339 -24.734 -8.539 1.00 50.42 C ATOM 0 HA PRO A 58 64.565 -26.201 -10.115 1.00 3.44 H new ATOM 0 HB2 PRO A 58 61.907 -27.075 -10.813 1.00 24.00 H new ATOM 0 HB3 PRO A 58 62.751 -27.526 -9.345 1.00 24.00 H new ATOM 0 HG2 PRO A 58 60.706 -25.385 -9.770 1.00 73.11 H new ATOM 0 HG3 PRO A 58 60.984 -26.388 -8.360 1.00 73.11 H new ATOM 0 HD2 PRO A 58 61.771 -23.822 -8.353 1.00 50.42 H new ATOM 0 HD3 PRO A 58 62.771 -25.041 -7.586 1.00 50.42 H new ATOM 875 N ASP A 59 64.485 -26.232 -12.535 1.00 25.01 N ATOM 876 CA ASP A 59 64.656 -26.047 -13.973 1.00 41.44 C ATOM 877 C ASP A 59 63.458 -26.590 -14.743 1.00 34.41 C ATOM 878 O ASP A 59 63.223 -26.207 -15.888 1.00 72.22 O ATOM 879 CB ASP A 59 65.954 -26.705 -14.458 1.00 1.55 C ATOM 880 CG ASP A 59 65.962 -28.215 -14.329 1.00 42.44 C ATOM 881 OD1 ASP A 59 65.829 -28.727 -13.196 1.00 4.21 O ATOM 882 OD2 ASP A 59 66.129 -28.900 -15.362 1.00 11.32 O ATOM 0 H ASP A 59 65.107 -26.928 -12.124 1.00 25.01 H new ATOM 0 HA ASP A 59 64.723 -24.976 -14.165 1.00 41.44 H new ATOM 0 HB2 ASP A 59 66.117 -26.438 -15.502 1.00 1.55 H new ATOM 0 HB3 ASP A 59 66.791 -26.297 -13.891 1.00 1.55 H new ATOM 887 N ASP A 60 62.693 -27.468 -14.106 1.00 32.43 N ATOM 888 CA ASP A 60 61.476 -28.004 -14.710 1.00 54.13 C ATOM 889 C ASP A 60 60.275 -27.124 -14.404 1.00 24.24 C ATOM 890 O ASP A 60 59.157 -27.419 -14.833 1.00 12.35 O ATOM 891 CB ASP A 60 61.190 -29.422 -14.213 1.00 23.23 C ATOM 892 CG ASP A 60 62.094 -30.463 -14.836 1.00 23.22 C ATOM 893 OD1 ASP A 60 61.870 -30.824 -16.010 1.00 70.35 O ATOM 894 OD2 ASP A 60 63.021 -30.937 -14.153 1.00 42.45 O ATOM 0 H ASP A 60 62.892 -27.825 -13.172 1.00 32.43 H new ATOM 0 HA ASP A 60 61.641 -28.026 -15.787 1.00 54.13 H new ATOM 0 HB2 ASP A 60 61.305 -29.451 -13.130 1.00 23.23 H new ATOM 0 HB3 ASP A 60 60.152 -29.674 -14.430 1.00 23.23 H new ATOM 899 N TRP A 61 60.493 -26.047 -13.657 1.00 5.24 N ATOM 900 CA TRP A 61 59.395 -25.171 -13.272 1.00 42.43 C ATOM 901 C TRP A 61 58.861 -24.420 -14.478 1.00 33.21 C ATOM 902 O TRP A 61 59.605 -23.734 -15.184 1.00 22.24 O ATOM 903 CB TRP A 61 59.828 -24.183 -12.191 1.00 54.42 C ATOM 904 CG TRP A 61 58.710 -23.326 -11.680 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.715 -23.708 -10.831 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.477 -21.944 -11.979 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.878 -22.653 -10.582 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.324 -21.557 -11.271 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.131 -20.995 -12.771 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.811 -20.266 -11.334 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.618 -19.714 -12.831 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.469 -19.359 -12.115 1.00 25.01 C ATOM 0 H TRP A 61 61.409 -25.763 -13.310 1.00 5.24 H new ATOM 0 HA TRP A 61 58.601 -25.797 -12.865 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.261 -24.736 -11.357 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.613 -23.541 -12.590 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.603 -24.698 -10.415 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.055 -22.679 -9.980 1.00 41.04 H new ATOM 0 HE3 TRP A 61 60.020 -21.259 -13.325 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.923 -19.990 -10.784 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.112 -18.973 -13.441 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.095 -18.348 -12.181 1.00 25.01 H new ATOM 923 N SER A 62 57.573 -24.572 -14.717 1.00 54.20 N ATOM 924 CA SER A 62 56.911 -23.889 -15.808 1.00 3.30 C ATOM 925 C SER A 62 56.022 -22.770 -15.273 1.00 13.23 C ATOM 926 O SER A 62 55.590 -22.806 -14.120 1.00 63.43 O ATOM 927 CB SER A 62 56.079 -24.883 -16.617 1.00 63.43 C ATOM 928 OG SER A 62 56.848 -26.023 -16.966 1.00 64.32 O ATOM 0 H SER A 62 56.960 -25.170 -14.163 1.00 54.20 H new ATOM 0 HA SER A 62 57.668 -23.449 -16.458 1.00 3.30 H new ATOM 0 HB2 SER A 62 55.208 -25.190 -16.038 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.706 -24.400 -17.521 1.00 63.43 H new ATOM 0 HG SER A 62 56.294 -26.646 -17.482 1.00 64.32 H new ATOM 934 N CYS A 63 55.775 -21.779 -16.114 1.00 24.15 N ATOM 935 CA CYS A 63 54.904 -20.661 -15.784 1.00 63.43 C ATOM 936 C CYS A 63 53.516 -21.161 -15.389 1.00 24.51 C ATOM 937 O CYS A 63 52.857 -21.843 -16.169 1.00 44.14 O ATOM 938 CB CYS A 63 54.806 -19.722 -16.991 1.00 63.12 C ATOM 939 SG CYS A 63 53.730 -18.287 -16.747 1.00 13.20 S ATOM 0 H CYS A 63 56.175 -21.727 -17.051 1.00 24.15 H new ATOM 0 HA CYS A 63 55.324 -20.119 -14.936 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.807 -19.370 -17.243 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.443 -20.290 -17.848 1.00 63.12 H new ATOM 944 N PRO A 64 53.058 -20.828 -14.171 1.00 12.23 N ATOM 945 CA PRO A 64 51.740 -21.248 -13.672 1.00 52.51 C ATOM 946 C PRO A 64 50.599 -20.796 -14.580 1.00 52.22 C ATOM 947 O PRO A 64 49.487 -21.313 -14.502 1.00 21.33 O ATOM 948 CB PRO A 64 51.629 -20.558 -12.310 1.00 2.43 C ATOM 949 CG PRO A 64 53.033 -20.268 -11.906 1.00 63.34 C ATOM 950 CD PRO A 64 53.796 -20.032 -13.176 1.00 75.23 C ATOM 0 HA PRO A 64 51.660 -22.334 -13.625 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.042 -19.642 -12.379 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.134 -21.200 -11.582 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.078 -19.393 -11.257 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.457 -21.102 -11.347 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.816 -18.975 -13.442 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.832 -20.359 -13.089 1.00 75.23 H new ATOM 958 N ASP A 65 50.889 -19.836 -15.446 1.00 62.43 N ATOM 959 CA ASP A 65 49.889 -19.293 -16.353 1.00 4.14 C ATOM 960 C ASP A 65 49.708 -20.183 -17.586 1.00 73.14 C ATOM 961 O ASP A 65 48.657 -20.794 -17.764 1.00 75.43 O ATOM 962 CB ASP A 65 50.286 -17.875 -16.768 1.00 75.11 C ATOM 963 CG ASP A 65 49.359 -17.281 -17.812 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.273 -16.785 -17.443 1.00 62.34 O ATOM 965 OD2 ASP A 65 49.724 -17.297 -18.999 1.00 12.44 O ATOM 0 H ASP A 65 51.814 -19.415 -15.540 1.00 62.43 H new ATOM 0 HA ASP A 65 48.933 -19.261 -15.830 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.291 -17.233 -15.887 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.303 -17.888 -17.159 1.00 75.11 H new ATOM 970 N CYS A 66 50.736 -20.269 -18.422 1.00 24.23 N ATOM 971 CA CYS A 66 50.620 -20.970 -19.700 1.00 44.35 C ATOM 972 C CYS A 66 51.485 -22.230 -19.757 1.00 61.50 C ATOM 973 O CYS A 66 51.587 -22.876 -20.800 1.00 33.10 O ATOM 974 CB CYS A 66 50.997 -20.023 -20.838 1.00 11.53 C ATOM 975 SG CYS A 66 52.527 -19.108 -20.542 1.00 2.42 S ATOM 0 H CYS A 66 51.655 -19.865 -18.242 1.00 24.23 H new ATOM 0 HA CYS A 66 49.584 -21.290 -19.807 1.00 44.35 H new ATOM 0 HB2 CYS A 66 51.100 -20.598 -21.759 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.184 -19.314 -20.994 1.00 11.53 H new ATOM 980 N GLY A 67 52.106 -22.579 -18.638 1.00 11.35 N ATOM 981 CA GLY A 67 52.916 -23.786 -18.574 1.00 2.21 C ATOM 982 C GLY A 67 54.164 -23.716 -19.435 1.00 45.15 C ATOM 983 O GLY A 67 54.604 -24.725 -19.980 1.00 12.15 O ATOM 0 H GLY A 67 52.065 -22.047 -17.769 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.206 -23.966 -17.539 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.313 -24.638 -18.889 1.00 2.21 H new ATOM 987 N ALA A 68 54.736 -22.527 -19.560 1.00 3.21 N ATOM 988 CA ALA A 68 55.973 -22.353 -20.315 1.00 51.33 C ATOM 989 C ALA A 68 57.171 -22.424 -19.381 1.00 24.02 C ATOM 990 O ALA A 68 57.176 -21.791 -18.329 1.00 24.41 O ATOM 991 CB ALA A 68 55.958 -21.029 -21.063 1.00 22.41 C ATOM 0 H ALA A 68 54.366 -21.669 -19.150 1.00 3.21 H new ATOM 0 HA ALA A 68 56.052 -23.158 -21.046 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.888 -20.916 -21.621 1.00 22.41 H new ATOM 0 HB2 ALA A 68 55.116 -21.011 -21.755 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.860 -20.210 -20.351 1.00 22.41 H new ATOM 997 N ALA A 69 58.175 -23.202 -19.763 1.00 63.43 N ATOM 998 CA ALA A 69 59.361 -23.396 -18.931 1.00 14.25 C ATOM 999 C ALA A 69 60.159 -22.104 -18.786 1.00 45.14 C ATOM 1000 O ALA A 69 59.910 -21.130 -19.497 1.00 64.45 O ATOM 1001 CB ALA A 69 60.239 -24.495 -19.506 1.00 43.25 C ATOM 0 H ALA A 69 58.194 -23.712 -20.646 1.00 63.43 H new ATOM 0 HA ALA A 69 59.024 -23.695 -17.938 1.00 14.25 H new ATOM 0 HB1 ALA A 69 61.118 -24.627 -18.875 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.676 -25.428 -19.544 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.554 -24.220 -20.513 1.00 43.25 H new ATOM 1007 N LYS A 70 61.135 -22.115 -17.876 1.00 44.04 N ATOM 1008 CA LYS A 70 61.940 -20.930 -17.578 1.00 2.40 C ATOM 1009 C LYS A 70 62.606 -20.362 -18.835 1.00 33.52 C ATOM 1010 O LYS A 70 62.821 -19.153 -18.943 1.00 53.10 O ATOM 1011 CB LYS A 70 63.012 -21.251 -16.523 1.00 2.20 C ATOM 1012 CG LYS A 70 62.447 -21.762 -15.201 1.00 4.42 C ATOM 1013 CD LYS A 70 63.466 -21.669 -14.068 1.00 65.43 C ATOM 1014 CE LYS A 70 64.703 -22.516 -14.334 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.683 -22.442 -13.213 1.00 61.24 N ATOM 0 H LYS A 70 61.388 -22.938 -17.329 1.00 44.04 H new ATOM 0 HA LYS A 70 61.261 -20.174 -17.183 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.694 -21.999 -16.928 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.600 -20.353 -16.332 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.560 -21.185 -14.939 1.00 4.42 H new ATOM 0 HG3 LYS A 70 62.130 -22.798 -15.319 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.762 -20.629 -13.933 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.001 -21.991 -13.136 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.406 -23.553 -14.488 1.00 20.30 H new ATOM 0 HE3 LYS A 70 65.180 -22.181 -15.255 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.570 -22.905 -13.496 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.871 -21.446 -12.982 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.292 -22.924 -12.378 1.00 61.24 H new ATOM 1029 N SER A 71 62.909 -21.236 -19.789 1.00 24.44 N ATOM 1030 CA SER A 71 63.572 -20.829 -21.024 1.00 74.02 C ATOM 1031 C SER A 71 62.732 -19.809 -21.796 1.00 74.23 C ATOM 1032 O SER A 71 63.271 -18.961 -22.508 1.00 30.43 O ATOM 1033 CB SER A 71 63.853 -22.055 -21.898 1.00 35.23 C ATOM 1034 OG SER A 71 64.568 -21.701 -23.069 1.00 35.24 O ATOM 0 H SER A 71 62.706 -22.234 -19.731 1.00 24.44 H new ATOM 0 HA SER A 71 64.517 -20.353 -20.760 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.425 -22.787 -21.328 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.912 -22.531 -22.174 1.00 35.23 H new ATOM 0 HG SER A 71 64.734 -22.504 -23.606 1.00 35.24 H new ATOM 1040 N ASP A 72 61.417 -19.874 -21.629 1.00 22.41 N ATOM 1041 CA ASP A 72 60.508 -18.985 -22.345 1.00 53.55 C ATOM 1042 C ASP A 72 60.220 -17.721 -21.548 1.00 72.53 C ATOM 1043 O ASP A 72 59.269 -16.990 -21.835 1.00 51.33 O ATOM 1044 CB ASP A 72 59.206 -19.709 -22.688 1.00 31.01 C ATOM 1045 CG ASP A 72 59.322 -20.537 -23.950 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.999 -21.583 -23.929 1.00 14.24 O ATOM 1047 OD2 ASP A 72 58.744 -20.137 -24.984 1.00 20.11 O ATOM 0 H ASP A 72 60.955 -20.534 -21.003 1.00 22.41 H new ATOM 0 HA ASP A 72 60.999 -18.689 -23.272 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.923 -20.355 -21.857 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.407 -18.977 -22.809 1.00 31.01 H new ATOM 1052 N PHE A 73 61.041 -17.462 -20.544 1.00 54.42 N ATOM 1053 CA PHE A 73 60.964 -16.207 -19.815 1.00 32.03 C ATOM 1054 C PHE A 73 62.024 -15.240 -20.326 1.00 41.43 C ATOM 1055 O PHE A 73 63.088 -15.656 -20.796 1.00 33.41 O ATOM 1056 CB PHE A 73 61.143 -16.428 -18.311 1.00 12.00 C ATOM 1057 CG PHE A 73 59.927 -16.994 -17.629 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.629 -18.343 -17.716 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.085 -16.171 -16.900 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.515 -18.861 -17.087 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.969 -16.682 -16.269 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.683 -18.028 -16.363 1.00 32.20 C ATOM 0 H PHE A 73 61.765 -18.101 -20.216 1.00 54.42 H new ATOM 0 HA PHE A 73 59.975 -15.781 -19.981 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.984 -17.102 -18.150 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.401 -15.478 -17.842 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.275 -18.997 -18.282 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.304 -15.116 -16.824 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.294 -19.916 -17.160 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.321 -16.029 -15.703 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.810 -18.431 -15.871 1.00 32.20 H new ATOM 1072 N GLU A 74 61.729 -13.955 -20.245 1.00 11.30 N ATOM 1073 CA GLU A 74 62.685 -12.933 -20.621 1.00 71.52 C ATOM 1074 C GLU A 74 63.111 -12.156 -19.386 1.00 63.42 C ATOM 1075 O GLU A 74 62.281 -11.738 -18.575 1.00 24.10 O ATOM 1076 CB GLU A 74 62.106 -11.995 -21.697 1.00 55.11 C ATOM 1077 CG GLU A 74 60.866 -11.221 -21.272 1.00 15.31 C ATOM 1078 CD GLU A 74 60.276 -10.401 -22.406 1.00 10.03 C ATOM 1079 OE1 GLU A 74 60.972 -10.204 -23.425 1.00 33.13 O ATOM 1080 OE2 GLU A 74 59.114 -9.951 -22.286 1.00 22.12 O ATOM 0 H GLU A 74 60.831 -13.595 -19.921 1.00 11.30 H new ATOM 0 HA GLU A 74 63.562 -13.414 -21.054 1.00 71.52 H new ATOM 0 HB2 GLU A 74 62.878 -11.284 -21.991 1.00 55.11 H new ATOM 0 HB3 GLU A 74 61.863 -12.585 -22.580 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.114 -11.919 -20.903 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.120 -10.560 -20.444 1.00 15.31 H new ATOM 1087 N MET A 75 64.414 -12.006 -19.223 1.00 1.12 N ATOM 1088 CA MET A 75 64.961 -11.348 -18.048 1.00 0.12 C ATOM 1089 C MET A 75 64.868 -9.834 -18.177 1.00 41.40 C ATOM 1090 O MET A 75 65.638 -9.209 -18.906 1.00 64.03 O ATOM 1091 CB MET A 75 66.417 -11.766 -17.832 1.00 65.23 C ATOM 1092 CG MET A 75 67.054 -11.155 -16.591 1.00 22.24 C ATOM 1093 SD MET A 75 68.806 -11.561 -16.438 1.00 62.41 S ATOM 1094 CE MET A 75 68.739 -13.345 -16.315 1.00 41.21 C ATOM 0 H MET A 75 65.114 -12.331 -19.890 1.00 1.12 H new ATOM 0 HA MET A 75 64.371 -11.656 -17.185 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.466 -12.852 -17.757 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.001 -11.480 -18.707 1.00 65.23 H new ATOM 0 HG2 MET A 75 66.937 -10.072 -16.623 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.525 -11.506 -15.705 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.744 -13.737 -16.162 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.107 -13.628 -15.473 1.00 41.21 H new ATOM 0 HE3 MET A 75 68.325 -13.758 -17.235 1.00 41.21 H new ATOM 1104 N VAL A 76 63.917 -9.255 -17.475 1.00 52.24 N ATOM 1105 CA VAL A 76 63.783 -7.816 -17.433 1.00 50.44 C ATOM 1106 C VAL A 76 64.588 -7.262 -16.267 1.00 33.40 C ATOM 1107 O VAL A 76 64.224 -7.435 -15.099 1.00 12.34 O ATOM 1108 CB VAL A 76 62.309 -7.374 -17.304 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.193 -5.855 -17.314 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.469 -7.982 -18.418 1.00 70.33 C ATOM 0 H VAL A 76 63.224 -9.761 -16.924 1.00 52.24 H new ATOM 0 HA VAL A 76 64.165 -7.421 -18.374 1.00 50.44 H new ATOM 0 HB VAL A 76 61.930 -7.736 -16.348 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.145 -5.570 -17.222 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.757 -5.442 -16.478 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.594 -5.466 -18.250 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.433 -7.659 -18.310 1.00 70.33 H new ATOM 0 HG22 VAL A 76 61.853 -7.654 -19.384 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.518 -9.069 -18.359 1.00 70.33 H new ATOM 1120 N GLU A 77 65.710 -6.647 -16.591 1.00 25.34 N ATOM 1121 CA GLU A 77 66.551 -6.022 -15.591 1.00 50.32 C ATOM 1122 C GLU A 77 66.254 -4.533 -15.533 1.00 51.53 C ATOM 1123 O GLU A 77 66.098 -3.877 -16.567 1.00 55.40 O ATOM 1124 CB GLU A 77 68.028 -6.266 -15.899 1.00 32.32 C ATOM 1125 CG GLU A 77 68.414 -5.924 -17.325 1.00 72.11 C ATOM 1126 CD GLU A 77 69.892 -6.092 -17.578 1.00 61.31 C ATOM 1127 OE1 GLU A 77 70.387 -7.234 -17.492 1.00 13.44 O ATOM 1128 OE2 GLU A 77 70.565 -5.081 -17.872 1.00 51.53 O ATOM 0 H GLU A 77 66.061 -6.568 -17.546 1.00 25.34 H new ATOM 0 HA GLU A 77 66.334 -6.465 -14.619 1.00 50.32 H new ATOM 0 HB2 GLU A 77 68.636 -5.674 -15.215 1.00 32.32 H new ATOM 0 HB3 GLU A 77 68.262 -7.313 -15.709 1.00 32.32 H new ATOM 0 HG2 GLU A 77 67.856 -6.560 -18.012 1.00 72.11 H new ATOM 0 HG3 GLU A 77 68.126 -4.895 -17.539 1.00 72.11 H new ATOM 1135 N VAL A 78 66.164 -4.011 -14.326 1.00 64.41 N ATOM 1136 CA VAL A 78 65.822 -2.615 -14.119 1.00 73.43 C ATOM 1137 C VAL A 78 67.006 -1.710 -14.430 1.00 32.33 C ATOM 1138 O VAL A 78 68.163 -2.134 -14.362 1.00 52.51 O ATOM 1139 CB VAL A 78 65.355 -2.362 -12.667 1.00 24.21 C ATOM 1140 CG1 VAL A 78 64.150 -3.233 -12.337 1.00 72.12 C ATOM 1141 CG2 VAL A 78 66.491 -2.605 -11.678 1.00 43.13 C ATOM 0 H VAL A 78 66.324 -4.536 -13.466 1.00 64.41 H new ATOM 0 HA VAL A 78 65.004 -2.381 -14.800 1.00 73.43 H new ATOM 0 HB VAL A 78 65.057 -1.317 -12.580 1.00 24.21 H new ATOM 0 HG11 VAL A 78 63.834 -3.043 -11.311 1.00 72.12 H new ATOM 0 HG12 VAL A 78 63.333 -2.997 -13.019 1.00 72.12 H new ATOM 0 HG13 VAL A 78 64.420 -4.284 -12.445 1.00 72.12 H new ATOM 0 HG21 VAL A 78 66.136 -2.420 -10.664 1.00 43.13 H new ATOM 0 HG22 VAL A 78 66.831 -3.637 -11.761 1.00 43.13 H new ATOM 0 HG23 VAL A 78 67.318 -1.931 -11.901 1.00 43.13 H new ATOM 1151 N ALA A 79 66.710 -0.479 -14.806 1.00 3.33 N ATOM 1152 CA ALA A 79 67.735 0.534 -14.945 1.00 60.23 C ATOM 1153 C ALA A 79 68.125 1.024 -13.562 1.00 2.51 C ATOM 1154 O ALA A 79 67.389 1.786 -12.936 1.00 1.25 O ATOM 1155 CB ALA A 79 67.246 1.687 -15.807 1.00 62.23 C ATOM 0 H ALA A 79 65.766 -0.158 -15.020 1.00 3.33 H new ATOM 0 HA ALA A 79 68.605 0.104 -15.441 1.00 60.23 H new ATOM 0 HB1 ALA A 79 68.034 2.435 -15.896 1.00 62.23 H new ATOM 0 HB2 ALA A 79 66.985 1.315 -16.798 1.00 62.23 H new ATOM 0 HB3 ALA A 79 66.368 2.139 -15.346 1.00 62.23 H new ATOM 1161 N ARG A 80 69.259 0.550 -13.072 1.00 22.14 N ATOM 1162 CA ARG A 80 69.682 0.845 -11.714 1.00 25.32 C ATOM 1163 C ARG A 80 70.073 2.314 -11.571 1.00 22.14 C ATOM 1164 O ARG A 80 71.206 2.699 -11.866 1.00 44.31 O ATOM 1165 CB ARG A 80 70.851 -0.058 -11.314 1.00 24.44 C ATOM 1166 CG ARG A 80 71.164 -0.020 -9.828 1.00 42.52 C ATOM 1167 CD ARG A 80 70.038 -0.633 -9.011 1.00 0.12 C ATOM 1168 NE ARG A 80 70.200 -0.373 -7.583 1.00 11.41 N ATOM 1169 CZ ARG A 80 69.575 -1.045 -6.622 1.00 65.24 C ATOM 1170 NH1 ARG A 80 68.820 -2.095 -6.917 1.00 52.54 N ATOM 1171 NH2 ARG A 80 69.733 -0.680 -5.360 1.00 43.23 N ATOM 0 H ARG A 80 69.904 -0.042 -13.596 1.00 22.14 H new ATOM 0 HA ARG A 80 68.843 0.650 -11.046 1.00 25.32 H new ATOM 0 HB2 ARG A 80 70.623 -1.084 -11.603 1.00 24.44 H new ATOM 0 HB3 ARG A 80 71.738 0.241 -11.872 1.00 24.44 H new ATOM 0 HG2 ARG A 80 72.091 -0.560 -9.636 1.00 42.52 H new ATOM 0 HG3 ARG A 80 71.324 1.011 -9.514 1.00 42.52 H new ATOM 0 HD2 ARG A 80 69.083 -0.229 -9.348 1.00 0.12 H new ATOM 0 HD3 ARG A 80 70.008 -1.709 -9.183 1.00 0.12 H new ATOM 0 HE ARG A 80 70.836 0.375 -7.305 1.00 11.41 H new ATOM 0 HH11 ARG A 80 68.716 -2.392 -7.887 1.00 52.54 H new ATOM 0 HH12 ARG A 80 68.344 -2.606 -6.174 1.00 52.54 H new ATOM 0 HH21 ARG A 80 70.332 0.113 -5.130 1.00 43.23 H new ATOM 0 HH22 ARG A 80 69.256 -1.192 -4.618 1.00 43.23 H new ATOM 1185 N SER A 81 69.123 3.131 -11.149 1.00 71.12 N ATOM 1186 CA SER A 81 69.365 4.545 -10.939 1.00 65.15 C ATOM 1187 C SER A 81 70.033 4.772 -9.586 1.00 70.11 C ATOM 1188 O SER A 81 69.323 4.763 -8.555 1.00 75.42 O ATOM 1189 CB SER A 81 68.050 5.317 -11.024 1.00 34.45 C ATOM 1190 OG SER A 81 67.376 5.059 -12.247 1.00 1.20 O ATOM 1191 OXT SER A 81 71.268 4.944 -9.560 1.00 0.00 O ATOM 0 H SER A 81 68.169 2.834 -10.944 1.00 71.12 H new ATOM 0 HA SER A 81 70.035 4.909 -11.718 1.00 65.15 H new ATOM 0 HB2 SER A 81 67.409 5.039 -10.188 1.00 34.45 H new ATOM 0 HB3 SER A 81 68.247 6.385 -10.934 1.00 34.45 H new ATOM 0 HG SER A 81 66.537 5.565 -12.272 1.00 1.20 H new TER 1197 SER A 81 HETATM 1198 ZN ZN A 82 53.338 -17.461 -18.981 1.00 11.12 ZN